dimethyl-[(5-oxidanyl-3-thiophen-2-ylcarbonyl-benzo[g][1]benzofuran-4-yl)methyl]azanium chloride

Systemtic Name: dimethyl-[(5-oxidanyl-3-thiophen-2-ylcarbonyl-benzo[g][1]benzofuran-4-yl)methyl]azanium chloride Openeye Name: [5-hydroxy-3-(thiophene-2-carbonyl)benzo[g]benzofuran-4-yl]methyl-dimethyl-ammonium chloride CAS Name: [5-hydroxy-3-[oxo(thiophen-2-yl)methyl]-4-benzo[g]benzofuranyl]methyl-dimethylammonium chloride IUPAC Name: [5-hydroxy-3-(thiophene-2-carbonyl)benzo[g][1]benzofuran-4-yl]methyl-dimethylazanium chloride Traditional Name: [5-hydroxy-3-(2-thenoyl)benzo[g]benzofuran-4-yl]methyl-dimethyl-ammonium chloride Formula: C20H18ClNO3S MolecularWeight: 387.87982

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C2=CC=CC=C2C3=C1C(=CO3)C(=O)C4=CC=CS4)O.[Cl-]

Isomeric SMILES

C[NH+](C)CC1=C(C2=CC=CC=C2C3=C1C(=CO3)C(=O)C4=CC=CS4)O.[Cl-]

InChI

InChI=1S/C20H17NO3S.ClH/c1-21(2)10-14-17-15(19(23)16-8-5-9-25-16)11-24-20(17)13-7-4-3-6-12(13)18(14)22;/h3-9,11,22H,10H2,1-2H3;1H